[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol

C14H20O3 — CID 66059005

IUPAC[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
SMILESCOc1ccc(C)cc1CC1(CO)CCOC1
InChIInChI=1S/C14H20O3/c1-11-3-4-13(16-2)12(7-11)8-14(9-15)5-6-17-10-14/h3-4,7,15H,5-6,8-10H2,1-2H3
InChIKeyHIIFYEDVELICSI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.95
Rot. Bonds4

About [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol

[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol (PubChem CID 66059005) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
PubChem CID66059005
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
SMILESCOc1ccc(C)cc1CC1(CO)CCOC1
InChIInChI=1S/C14H20O3/c1-11-3-4-13(16-2)12(7-11)8-14(9-15)5-6-17-10-14/h3-4,7,15H,5-6,8-10H2,1-2H3
InChIKeyHIIFYEDVELICSI-UHFFFAOYSA-N
XLogP1.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116579688
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
3-(chloromethyl)-3-[(2,5-dimethylphenyl)methyl]oxolane
CID 66036150
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718338
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
3-[(2-methoxy-5-methylphenyl)methyl]oxetane-3-carbonitrile
CID 116929919
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol (CID 66059005) is [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol is COc1ccc(C)cc1CC1(CO)CCOC1.
What is the InChIKey of [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol?
The InChIKey is HIIFYEDVELICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-3-4-13(16-2)12(7-11)8-14(9-15)5-6-17-10-14/h3-4,7,15H,5-6,8-10H2,1-2H3.
What are the key properties of [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol?
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 66059005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).